%chk=000092879.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000092879

0 1
 S    2.119100     -0.1793000      -2.085400    
 O    1.281400     -0.7808000       2.198100    
 O    4.888500       2.096000       1.022300    
 O    5.008900     -9.1300003E-02   1.652600    
 O   -1.355900      -2.197700       1.326200    
 O   -3.463400     -0.6713000      0.4189000    
 N    2.770400     -0.7115000      0.3683000    
 N  -0.1460000      -1.575000     -0.5531000    
 C    2.406600      -1.477200     -0.8277000    
 C    3.393400      0.9245000      -1.293600    
 C    3.218200      0.6581000      0.2171000    
 C    1.177400      -1.975900     -5.5399999E-02
 C    1.696700      -1.110900       1.110400    
 C    4.768300      0.5357000      -1.853700    
 C    3.077200       2.379900      -1.643400    
 C    4.456700      0.8112000       1.041100    
 C   -1.315200      -1.723400      0.1929000    
 C   -2.557100      -1.212600     -0.5276000    
 C   -3.259700      -2.308800      -1.334100    
 C   -3.793900      -3.452400     -0.4789000    
 C   -3.761100      0.6630000      0.3018000    
 C   -2.743600       1.604400      0.3969000    
 C   -5.076700       1.056600      9.0000004E-02
 C   -3.046400       2.960800      0.2786000    
 C   -5.379400       2.413000     -2.8300000E-02
 C   -4.364300       3.365100      6.5899998E-02
 H    3.150300      -2.235900      -1.087700    
 H    2.443200       1.301700      0.6549000    
 H    1.210100      -3.048800      0.1685000    
 H    5.048300     -0.4905000      -1.590800    
 H    4.793800      0.6202000      -2.946800    
 H    5.554100       1.196000      -1.470300    
 H    3.108900       2.548600      -2.726300    
 H    2.083800       2.677700      -1.288200    
 H    3.803700       3.062600      -1.190200    
 H  -0.2246000      -1.180100      -1.487200    
 H   -2.243300     -0.4445000      -1.248700    
 H    5.701800       2.217300       1.557100    
 H   -4.107100      -1.866900      -1.872400    
 H   -2.571800      -2.718600      -2.082900    
 H   -4.323500      -4.173300      -1.110300    
 H   -2.984100      -3.987700      2.5500000E-02
 H   -4.496800      -3.092200      0.2784000    
 H   -1.714500       1.303800      0.5723000    
 H   -5.869500      0.3178000      1.5699999E-02
 H   -2.256400       3.702200      0.3542000    
 H   -6.405600       2.727900     -0.1940000    
 H   -4.600200       4.421300     -2.5800001E-02


%chk=000092879-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000092879

0 1
S 2.275696 -0.698178 -1.803179
O 1.215713 2.235520 1.165002
O 6.036995 1.820740 0.253341
O 5.375019 0.117247 1.696023
O -1.919223 -1.402216 1.078016
O -4.122993 -0.649907 -0.602476
N 2.688330 0.379156 0.607246
N -0.479064 -0.163814 -0.273566
C 2.015001 -0.834437 0.077462
C 4.026324 0.106382 -1.468640
C 3.846313 0.920341 -0.102468
C 0.646213 -0.267795 0.620113
C 1.465208 1.049762 0.896989
C 5.053389 -1.040755 -1.352219
C 4.356678 1.054846 -2.634281
C 5.124339 0.871471 0.739565
C -1.712648 -0.751765 0.019660
C -2.757917 -0.562077 -1.108849
C -2.625231 -1.663416 -2.188687
C -2.819651 -3.095590 -1.650567
C -4.614922 0.392195 0.212977
C -3.859422 1.513231 0.633854
C -5.972705 0.258343 0.589830
C -4.480180 2.500812 1.434385
C -6.575872 1.250086 1.387985
C -5.834511 2.379843 1.813815
H 2.368751 -1.802547 0.454936
H 3.646401 1.981597 -0.341501
H 0.302040 -0.778327 1.536473
H 4.827164 -1.715370 -0.508833
H 5.052178 -1.636413 -2.279781
H 6.073343 -0.635160 -1.207859
H 4.460462 0.495253 -3.580412
H 3.573064 1.820970 -2.766366
H 5.315171 1.567843 -2.432448
H -0.348140 0.347797 -1.150000
H -2.603740 0.433151 -1.583541
H 6.871685 1.789651 0.795440
H -3.385620 -1.446251 -2.962288
H -1.632202 -1.563100 -2.670510
H -2.776413 -3.823848 -2.480198
H -2.042703 -3.365252 -0.913910
H -3.798367 -3.188916 -1.151789
H -2.802376 1.626967 0.374485
H -6.527639 -0.622286 0.252093
H -3.891362 3.363575 1.765399
H -7.626677 1.140851 1.678706
H -6.305199 3.148592 2.435471


